input word = C00031652

Metabolite InformationStructural formula
Name Cascaroside D
Formula C27H32O13
Mw 564.18429111
CAS RN 53861-35-1
C_ID C00031652 ,
InChIKey GQPFUOPPYJYZHE-UHFFFAOYNA-N
InChICode InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16+,19-,20-,22+,23-,24-,25-,26+,27-/m0/s1
SMILES Cc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum emodi Ref.
PlantaeRhamnaceaeRhamnus purshiana Ref.
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